4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(2-chloranyl-4-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(2-chloranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-4-(3,5-dichloro-4-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(3,5-dichloropyridin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioamide Formula: C17H17Cl3N4S MolecularWeight: 415.76768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl)Cl

InChI

InChI=1S/C17H17Cl3N4S/c1-11-2-3-15(12(18)8-11)22-17(25)24-6-4-23(5-7-24)16-13(19)9-21-10-14(16)20/h2-3,8-10H,4-7H2,1H3,(H,22,25)